2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol

C11H22N2O — CID 107229078

IUPAC2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol
SMILES[H]/N=C(\C(C)C)N1CCCC(CCO)C1
InChIInChI=1S/C11H22N2O/c1-9(2)11(12)13-6-3-4-10(8-13)5-7-14/h9-10,12,14H,3-8H2,1-2H3/b12-11+
InChIKeyJIOKNDLYOLLHJR-VAWYXSNFSA-N
MW198.31 g/mol
LogP1.71
Rot. Bonds3

About 2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol

2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol (PubChem CID 107229078) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol
PubChem CID107229078
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol
SMILES[H]/N=C(\C(C)C)N1CCCC(CCO)C1
InChIInChI=1S/C11H22N2O/c1-9(2)11(12)13-6-3-4-10(8-13)5-7-14/h9-10,12,14H,3-8H2,1-2H3/b12-11+
InChIKeyJIOKNDLYOLLHJR-VAWYXSNFSA-N
XLogP1.71
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-Trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 107227653
3-Imino-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 20637163
3-(2-Methoxyethyl)-1-methylpiperidin-2-imine
CID 21643869
2-(1-Octanimidoylpiperidin-4-yl)propan-1-ol
CID 53794051
2-[1-(4-Methylpentanimidoyl)piperidin-4-yl]propan-1-ol
CID 54154578
(1-Ethanimidoylpiperidin-4-yl)methanol
CID 59020702
2-(1-Ethanimidoylpiperidin-3-yl)ethanol
CID 59020818
2-(1-Ethanimidoylpiperidin-4-yl)ethanol
CID 59020836
(1-Ethanimidoylpiperidin-3-yl)methanol
CID 60085645
2-[1-(4-Methylpentanimidoyl)piperidin-4-yl]propan-1-ol;hydrochloride
CID 67741134
2-(1-Octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride
CID 67741160
2-(1-Ethanimidoylpiperidin-4-yl)propane-1,3-diol
CID 89316583

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol (CID 107229078) is 2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol is [H]/N=C(\C(C)C)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol?
The InChIKey is JIOKNDLYOLLHJR-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)11(12)13-6-3-4-10(8-13)5-7-14/h9-10,12,14H,3-8H2,1-2H3/b12-11+.
What are the key properties of 2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol?
2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol has a molecular weight of 198.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropanimidoyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107229078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).